N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

C17H29N3O — CID 109490544

IUPACN-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCc2ccco2)C1
InChIInChI=1S/C17H29N3O/c1-4-9-17(2)10-6-12-20(14-17)16(18-3)19-11-8-15-7-5-13-21-15/h5,7,13H,4,6,8-12,14H2,1-3H3,(H,18,19)
InChIKeyRLGFEPUNWGDDQG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490544) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490544
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCc2ccco2)C1
InChIInChI=1S/C17H29N3O/c1-4-9-17(2)10-6-12-20(14-17)16(18-3)19-11-8-15-7-5-13-21-15/h5,7,13H,4,6,8-12,14H2,1-3H3,(H,18,19)
InChIKeyRLGFEPUNWGDDQG-UHFFFAOYSA-N
XLogP3.30
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide
CID 110057590
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490572
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-[2-(benzenesulfonyl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490656
N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490779
N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490291
N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 109490604
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
N',3-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490282
2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]-N-propylacetamide
CID 109490288
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490616
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (CID 109490544) is N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCCc2ccco2)C1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is RLGFEPUNWGDDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-9-17(2)10-6-12-20(14-17)16(18-3)19-11-8-15-7-5-13-21-15/h5,7,13H,4,6,8-12,14H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 291.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).